SCHEMBL19686877

SCHEMBL19686877

CN/C(=C\N)CNc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
SYK P43405 1/20 0.33
IDH1 O75874 4/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NR2F2 P24468 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19687520 0.84 KCNN2 (0.37) KCNN2KCNN3SYKALDH1A1TSHR
SCHEMBL19687492 0.82 KCNN2 (0.36) KCNN2KCNN3IDH1
SCHEMBL19686334 0.82 KCNN2 (0.43) KCNN2KCNN3IDH1TSHRSMN1; SMN2
SCHEMBL19686944 0.79 KCNN2 (0.45) KCNN2KCNN3IDH1ALDH1A1TSHR
SCHEMBL19686887 0.78 KCNN2 (0.48) KCNN2KCNN3SYKIDH1ALDH1A1
SCHEMBL19686952 0.77 KCNN2 (0.39) KCNN2KCNN3SYKIDH1ALDH1A1
SCHEMBL19686284 0.77 KCNN2 (0.49) KCNN2KCNN3IDH1TSHRSMN1; SMN2
SCHEMBL19687227 0.77 KCNN2 (0.46) KCNN2KCNN3ALDH1A1TSHRSMN1; SMN2
SCHEMBL19687280 0.77 KCNN2 (0.43) KCNN2KCNN3SYKIDH1ALDH1A1
SCHEMBL21143707 0.77 KCNN2 (0.45) KCNN2KCNN3IDH1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed